#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2keq s GLY 0 N 0.00 -0.15 0.32 -0.02 0.00 -1.26 -4.74 107.32 101.48 2keq s GLY 0 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 44.72 44.36 2keq s GLY 0 CO 0.00 -0.44 0.65 0.00 0.00 0.00 0.00 173.10 173.31 2keq s ALA 1 N -3.83 -0.48 0.08 3.20 0.00 -1.26 -4.66 121.76 114.82 2keq s ALA 1 Ca 0.04 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.29 2keq s ALA 1 Cb 0.02 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 2keq s ALA 1 CO -0.11 -0.94 -0.26 -0.51 0.00 0.00 0.00 175.76 173.95 2keq s LEU 2 N -3.05 2.24 0.85 0.00 1.43 -0.35 -2.72 118.68 117.07 2keq s LEU 2 Ca 0.19 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2keq s LEU 2 Cb -0.04 -1.20 0.10 0.00 0.03 0.00 0.00 46.19 45.09 2keq s LEU 2 CO 0.11 0.20 1.10 -0.55 0.23 0.00 0.00 176.35 177.45 2keq s SER 3 N -1.60 3.74 0.24 2.29 0.15 -1.10 -0.83 113.70 116.60 2keq s SER 3 Ca 0.12 1.86 -0.04 0.00 0.70 0.00 0.00 55.95 58.59 2keq s SER 3 Cb -0.10 -2.47 0.46 0.00 -1.71 0.00 0.00 66.02 62.20 2keq s SER 3 CO 0.04 -2.53 1.72 0.22 1.20 0.00 0.00 173.24 173.89 2keq h TYR 4 N -1.47 0.46 0.00 3.44 5.03 -1.94 -1.30 116.97 121.19 2keq h TYR 4 Ca -0.45 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.90 2keq h TYR 4 Cb 1.25 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.44 2keq h TYR 4 CO 0.52 0.03 0.00 1.05 -1.32 0.00 0.00 178.16 178.44 2keq h GLU 5 N 0.40 0.00 -6.08 1.82 -0.00 -1.94 -3.30 114.58 105.48 2keq h GLU 5 Ca 0.42 0.00 -0.50 0.00 -0.00 0.00 0.00 59.36 59.28 2keq h GLU 5 Cb 0.65 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.35 2keq h GLU 5 CO -0.43 0.00 1.22 0.99 -0.00 0.00 0.00 179.01 180.79 2keq s THR 6 N -3.64 3.50 0.13 -1.06 2.01 -0.49 -4.88 115.64 111.21 2keq s THR 6 Ca -0.02 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 2keq s THR 6 Cb 0.08 -4.31 -0.07 0.00 0.01 0.00 0.00 72.50 68.21 2keq s THR 6 CO 0.27 -1.27 1.17 -1.61 -0.69 0.00 0.00 174.62 172.49 2keq s GLU 7 N 6.53 4.50 -0.18 4.92 2.02 -1.26 -2.05 118.70 133.17 2keq s GLU 7 Ca 0.56 1.78 -0.04 0.00 0.02 0.00 0.00 54.97 57.29 2keq s GLU 7 Cb -0.10 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 2keq s GLU 7 CO 0.16 -0.11 -0.02 0.42 0.02 0.00 0.00 175.26 175.73 2keq s ILE 8 N 0.36 3.91 -0.01 -1.63 -1.09 0.02 -1.79 121.20 120.97 2keq s ILE 8 Ca 0.54 -0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 2keq s ILE 8 Cb -0.30 -2.74 -0.06 0.00 -1.58 0.00 0.00 42.46 37.77 2keq s ILE 8 CO 0.33 0.46 1.59 -0.22 -1.23 0.00 0.00 174.94 175.87 2keq s LEU 9 N 0.74 4.33 0.12 2.97 2.96 -1.22 -2.14 118.68 126.44 2keq s LEU 9 Ca -0.01 2.27 0.09 0.00 -0.22 0.00 0.00 54.13 56.26 2keq s LEU 9 Cb -0.14 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2keq s LEU 9 CO 0.02 -0.87 -0.22 0.42 -1.32 0.00 0.00 176.35 174.38 2keq s THR 10 N 3.27 1.88 0.13 3.68 -4.23 -0.28 -4.31 115.64 115.78 2keq s THR 10 Ca 0.71 -1.67 -0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2keq s THR 10 Cb -0.34 -1.72 -0.20 0.00 1.34 0.00 0.00 72.50 71.57 2keq s THR 10 CO 0.29 -0.07 1.28 0.58 -0.54 0.00 0.00 174.62 176.17 2keq h VAL 11 N 3.87 1.51 0.00 2.29 2.07 -1.76 -1.83 116.25 122.39 2keq h VAL 11 Ca -0.47 -2.82 -0.05 0.00 0.82 0.00 0.00 66.70 64.18 2keq h VAL 11 Cb 1.18 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 2keq h VAL 11 CO 0.42 0.82 -0.24 -0.33 0.02 0.00 0.00 177.57 178.26 2keq h GLU 12 N 0.10 0.00 0.00 1.57 4.39 -1.95 -3.42 114.58 115.28 2keq h GLU 12 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2keq h GLU 12 Cb 1.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 2keq h GLU 12 CO 0.16 0.24 0.00 0.66 -1.16 0.00 0.00 179.01 178.90 2keq n TYR 13 N -3.92 -1.31 0.00 4.33 4.01 -1.25 -5.11 117.16 113.91 2keq n TYR 13 Ca -0.02 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 2keq n TYR 13 Cb 0.32 0.77 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 2keq n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2keq n GLY 14 N 0.81 0.72 3.59 2.72 0.00 -0.69 -4.97 105.19 107.38 2keq n GLY 14 Ca 0.00 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 2keq n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2keq s LEU 15 N 0.00 3.47 0.04 0.99 1.43 -1.26 -1.12 118.68 122.24 2keq s LEU 15 Ca 0.00 1.18 0.03 0.00 -1.03 0.00 0.00 54.13 54.31 2keq s LEU 15 Cb 0.00 -3.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 2keq s LEU 15 CO 0.00 -1.83 -0.09 -0.76 0.23 0.00 0.00 176.35 173.90 2keq s LEU 16 N 7.35 2.23 0.10 1.79 1.43 -0.91 -4.90 118.68 125.77 2keq s LEU 16 Ca 0.79 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 53.07 2keq s LEU 16 Cb -0.21 -0.24 -0.09 0.00 0.03 0.00 0.00 46.19 45.68 2keq s LEU 16 CO 0.32 -0.15 1.63 -2.16 0.23 0.00 0.00 176.35 176.21 2keq s PRO 17 N -1.45 4.20 0.37 1.29 0.04 -1.26 -0.80 135.00 137.39 2keq s PRO 17 Ca -0.07 2.34 0.09 0.00 0.04 0.00 0.00 61.00 63.40 2keq s PRO 17 Cb -0.09 -3.47 0.84 0.00 0.04 0.00 0.00 34.50 31.82 2keq s PRO 17 CO 0.01 -0.69 1.90 0.97 0.04 0.00 0.00 177.00 179.22 2keq h ILE 18 N 4.57 0.87 -0.45 0.56 2.10 -1.49 -2.43 117.51 121.24 2keq h ILE 18 Ca -0.43 -0.23 -0.06 0.00 1.08 0.00 0.00 64.86 65.23 2keq h ILE 18 Cb 1.20 0.15 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 2keq h ILE 18 CO 0.92 0.12 0.05 1.23 -1.08 0.00 0.00 178.15 179.39 2keq h GLY 19 N 0.66 0.75 1.33 8.18 0.00 -1.81 -1.43 103.07 110.75 2keq h GLY 19 Ca 0.40 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 47.15 2keq h GLY 19 CO -0.17 0.42 -0.31 1.70 0.00 0.00 0.00 176.54 178.18 2keq h LYS 20 N 0.67 0.76 -0.50 4.80 3.64 -1.74 0.38 116.57 124.56 2keq h LYS 20 Ca 0.14 -0.35 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 2keq h LYS 20 Cb 0.35 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2keq h LYS 20 CO 0.01 0.97 -0.07 0.82 -2.27 0.00 0.00 179.45 178.90 2keq h ILE 21 N 0.64 1.26 0.23 2.00 2.04 -1.34 -2.37 117.51 119.97 2keq h ILE 21 Ca 0.07 -1.18 -0.34 0.00 1.00 0.00 0.00 64.86 64.42 2keq h ILE 21 Cb 0.84 0.95 0.03 0.00 -0.74 0.00 0.00 36.82 37.90 2keq h ILE 21 CO 0.07 0.41 -1.54 0.58 0.00 0.00 0.00 178.15 177.67 2keq h VAL 22 N 0.82 1.20 0.00 1.67 2.07 -1.13 0.30 116.25 121.18 2keq h VAL 22 Ca 0.14 -2.68 -0.07 0.00 0.82 0.00 0.00 66.70 64.91 2keq h VAL 22 Cb 0.59 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 2keq h VAL 22 CO 0.04 0.83 -0.31 -0.33 0.02 0.00 0.00 177.57 177.82 2keq h GLU 23 N 0.13 0.00 -0.03 1.57 5.08 -0.95 -3.20 114.58 117.18 2keq h GLU 23 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2keq h GLU 23 Cb 2.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.39 2keq h GLU 23 CO 0.25 0.31 0.00 1.63 -1.00 0.00 0.00 179.01 180.20 2keq n LYS 24 N -3.81 0.41 -3.96 2.33 4.76 -0.89 -5.02 118.16 111.97 2keq n LYS 24 Ca -0.01 -1.09 -0.29 0.00 -2.87 0.00 0.00 58.31 54.05 2keq n LYS 24 Cb 0.40 -1.17 -0.02 0.00 -1.84 0.00 0.00 35.03 32.40 2keq n LYS 24 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2keq n ARG 25 N 0.48 -2.45 -2.33 1.97 3.00 -0.07 -4.89 116.66 112.36 2keq n ARG 25 Ca 0.05 0.35 -0.42 0.00 -0.01 0.00 0.00 57.85 57.82 2keq n ARG 25 Cb 0.23 -4.20 -0.03 0.00 0.00 0.00 0.00 32.46 28.47 2keq n ARG 25 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2keq s ILE 26 N -3.91 4.00 -0.57 0.55 1.01 -0.22 -4.96 121.20 117.10 2keq s ILE 26 Ca 0.11 1.32 -0.27 0.00 0.00 0.00 0.00 60.65 61.82 2keq s ILE 26 Cb -0.05 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2keq s ILE 26 CO 0.90 -0.03 1.71 -1.61 0.00 0.00 0.00 174.94 175.91 2keq s GLU 27 N 2.67 2.91 0.34 2.79 2.02 -1.26 -4.95 118.70 123.22 2keq s GLU 27 Ca 0.60 0.61 0.04 0.00 0.02 0.00 0.00 54.97 56.24 2keq s GLU 27 Cb -0.27 -4.29 -0.01 0.00 0.10 0.00 0.00 34.13 29.65 2keq s GLU 27 CO 0.23 -2.40 0.14 0.00 0.02 0.00 0.00 175.26 173.25 2keq s THR 29 N -2.91 0.72 0.10 0.00 2.01 -1.26 -1.38 115.64 112.92 2keq s THR 29 Ca 0.20 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2keq s THR 29 Cb 0.01 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 2keq s THR 29 CO 0.14 -0.19 -0.08 0.68 -0.69 0.00 0.00 174.62 174.49 2keq s VAL 30 N -1.02 0.78 -0.07 3.82 -7.23 -0.20 -2.25 120.40 114.22 2keq s VAL 30 Ca -0.04 -1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 2keq s VAL 30 Cb -0.08 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 2keq s VAL 30 CO 0.01 -0.78 0.29 -0.31 -0.31 0.00 0.00 175.10 174.00 2keq s TYR 31 N -3.26 3.63 0.03 2.82 1.51 -1.26 -1.41 117.35 119.41 2keq s TYR 31 Ca 0.10 0.76 -0.22 0.00 -1.01 0.00 0.00 57.07 56.70 2keq s TYR 31 Cb 0.03 -2.17 0.05 0.00 -0.11 0.00 0.00 41.96 39.75 2keq s TYR 31 CO -0.03 0.60 0.50 0.45 -1.11 0.00 0.00 175.55 175.96 2keq s SER 32 N -0.78 -0.41 -0.19 2.29 0.15 -0.35 -1.27 113.70 113.14 2keq s SER 32 Ca 0.19 0.20 -0.17 0.00 0.70 0.00 0.00 55.95 56.87 2keq s SER 32 Cb -0.14 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 2keq s SER 32 CO 0.08 -0.67 0.46 -0.69 1.20 0.00 0.00 173.24 173.62 2keq s VAL 33 N -2.21 5.16 1.17 4.45 1.01 -1.26 -0.55 120.40 128.18 2keq s VAL 33 Ca -0.07 0.84 -0.17 0.00 0.00 0.00 0.00 61.98 62.58 2keq s VAL 33 Cb -0.01 -3.79 0.27 0.00 0.00 0.00 0.00 36.38 32.85 2keq s VAL 33 CO 0.00 0.23 1.08 -0.62 0.00 0.00 0.00 175.10 175.79 2keq s ASP 34 N 1.03 1.13 0.54 3.32 2.15 0.16 -4.87 116.67 120.13 2keq s ASP 34 Ca 0.22 0.85 0.26 0.00 0.43 0.00 0.00 52.55 54.31 2keq s ASP 34 Cb -0.15 -1.25 1.52 0.00 -0.30 0.00 0.00 42.92 42.74 2keq s ASP 34 CO 0.09 -4.01 2.13 0.78 -0.17 0.00 0.00 175.17 173.99 2keq h ASN 35 N -2.50 0.00 0.34 -0.34 2.35 -1.98 -1.31 115.58 112.14 2keq h ASN 35 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2keq h ASN 35 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2keq h ASN 35 CO 0.41 0.08 -0.13 0.59 -1.65 0.00 0.00 177.43 176.73 2keq n ASN 36 N -3.84 0.57 0.00 5.81 3.02 -1.26 -4.95 115.26 114.60 2keq n ASN 36 Ca -0.02 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 2keq n ASN 36 Cb 0.18 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 2keq n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2keq n GLY 37 N 1.29 0.51 3.71 7.41 0.00 -0.49 -5.07 105.19 112.55 2keq n GLY 37 Ca 0.14 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 2keq n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2keq s ASN 38 N -2.73 6.48 -0.08 1.61 0.01 -1.26 -4.81 114.94 114.17 2keq s ASN 38 Ca 0.00 0.56 -0.30 0.00 -0.71 0.00 0.00 52.86 52.42 2keq s ASN 38 Cb 0.00 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.41 2keq s ASN 38 CO 0.00 0.04 1.28 -0.63 -1.51 0.00 0.00 177.10 176.27 2keq s ILE 39 N 0.70 4.13 0.31 0.60 1.01 -1.26 -0.67 121.20 126.02 2keq s ILE 39 Ca 0.19 1.44 0.03 0.00 0.00 0.00 0.00 60.65 62.31 2keq s ILE 39 Cb -0.14 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2keq s ILE 39 CO 0.06 -0.04 0.15 -0.72 0.00 0.00 0.00 174.94 174.39 2keq s TYR 40 N 2.69 1.62 -0.04 3.97 1.13 0.29 -4.96 117.35 122.05 2keq s TYR 40 Ca 0.58 -1.34 0.05 0.00 -1.41 0.00 0.00 57.07 54.95 2keq s TYR 40 Cb -0.25 -0.89 -0.02 0.00 -1.10 0.00 0.00 41.96 39.69 2keq s TYR 40 CO 0.21 -0.48 -0.20 0.95 -2.51 0.00 0.00 175.55 173.52 2keq s THR 41 N -3.58 2.58 -0.01 -3.49 -4.23 -1.26 -1.21 115.64 104.43 2keq s THR 41 Ca 0.35 -0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 2keq s THR 41 Cb 0.05 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2keq s THR 41 CO 0.17 0.58 0.04 0.00 -0.54 0.00 0.00 174.62 174.87 2keq s GLN 42 N -0.59 0.08 0.53 3.99 -2.07 -0.50 -4.95 119.66 116.14 2keq s GLN 42 Ca 0.09 -0.00 -0.18 0.00 -1.82 0.00 0.00 55.36 53.44 2keq s GLN 42 Cb -0.11 0.04 -0.07 0.00 -1.09 0.00 0.00 33.01 31.78 2keq s GLN 42 CO 0.00 -0.01 1.04 -1.25 -1.32 0.00 0.00 175.29 173.75 2keq s PRO 43 N -0.12 3.62 0.33 9.60 0.04 -1.26 -1.03 135.00 146.18 2keq s PRO 43 Ca -0.02 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 2keq s PRO 43 Cb -0.01 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 2keq s PRO 43 CO 0.00 -0.57 1.43 0.54 0.04 0.00 0.00 177.00 178.44 2keq s VAL 44 N -2.22 2.40 -0.21 -0.36 0.11 -0.48 -4.84 120.40 114.79 2keq s VAL 44 Ca 0.65 0.38 -0.18 0.00 -2.93 0.00 0.00 61.98 59.90 2keq s VAL 44 Cb -0.16 -3.24 -0.15 0.00 -1.53 0.00 0.00 36.38 31.30 2keq s VAL 44 CO 0.28 0.08 0.03 0.00 -3.33 0.00 0.00 175.10 172.15 2keq n ALA 45 N 1.14 0.81 -4.01 1.54 0.00 -0.10 -4.91 120.51 114.98 2keq n ALA 45 Ca 0.03 -0.60 -0.16 0.00 0.00 0.00 0.00 53.44 52.70 2keq n ALA 45 Cb 0.40 -0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 2keq n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2keq n GLN 46 N -4.43 0.51 -3.80 0.00 6.02 -0.88 -4.95 117.38 109.85 2keq n GLN 46 Ca -0.32 -2.71 -0.17 0.00 -0.01 0.00 0.00 57.00 53.79 2keq n GLN 46 Cb 0.65 2.42 -0.17 0.00 1.02 0.00 0.00 30.24 34.16 2keq n GLN 46 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2keq s TRP 47 N -3.16 0.17 -0.06 1.08 0.51 -1.26 -0.49 118.94 115.73 2keq s TRP 47 Ca 0.30 0.10 0.05 0.00 -2.12 0.00 0.00 56.10 54.43 2keq s TRP 47 Cb 0.00 -0.39 -0.01 0.00 -0.81 0.00 0.00 33.47 32.27 2keq s TRP 47 CO 0.22 -0.14 -0.22 -1.01 -0.51 0.00 0.00 176.95 175.28 2keq s HIS 48 N 1.39 2.19 -0.11 -1.98 3.76 -0.21 -4.88 115.29 115.43 2keq s HIS 48 Ca -0.05 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 2keq s HIS 48 Cb -0.13 -1.45 0.02 0.00 1.11 0.00 0.00 32.58 32.13 2keq s HIS 48 CO -0.03 -0.22 -0.11 0.16 -0.85 0.00 0.00 174.74 173.69 2keq s ASP 49 N -0.04 2.29 -0.06 1.40 -4.77 -1.26 -1.12 116.67 113.11 2keq s ASP 49 Ca -0.05 -0.37 0.04 0.00 -3.30 0.00 0.00 52.55 48.87 2keq s ASP 49 Cb -0.13 -0.96 -0.25 0.00 -1.09 0.00 0.00 42.92 40.49 2keq s ASP 49 CO 0.04 -0.06 0.62 0.03 0.70 0.00 0.00 175.17 176.49 2keq h ARG 50 N 7.86 0.13 0.00 2.11 2.47 -1.84 -3.49 114.38 121.61 2keq h ARG 50 Ca -0.32 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 2keq h ARG 50 Cb 1.15 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 2keq h ARG 50 CO 0.46 0.84 0.00 0.41 0.56 0.00 0.00 179.97 182.24 2keq n GLY 51 N 1.71 2.62 2.68 0.04 0.00 -1.24 -4.81 105.19 106.20 2keq n GLY 51 Ca -0.21 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.16 2keq n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2keq s GLU 52 N 0.00 0.06 0.21 1.61 -1.05 -1.26 -3.83 118.70 114.44 2keq s GLU 52 Ca 0.00 -0.03 0.09 0.00 -0.15 0.00 0.00 54.97 54.88 2keq s GLU 52 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 34.13 33.65 2keq s GLU 52 CO 0.00 -0.08 -0.16 -0.65 0.95 0.00 0.00 175.26 175.32 2keq s GLN 53 N 1.81 1.37 -0.37 -4.83 -0.21 -1.18 -4.92 119.66 111.33 2keq s GLN 53 Ca 0.16 -1.58 -0.28 0.00 0.02 0.00 0.00 55.36 53.68 2keq s GLN 53 Cb 0.06 -1.27 -0.04 0.00 1.00 0.00 0.00 33.01 32.77 2keq s GLN 53 CO -0.15 0.23 2.04 -1.83 -2.12 0.00 0.00 175.29 173.45 2keq s GLU 54 N -3.44 2.95 -0.10 2.91 1.03 -1.26 -3.01 118.70 117.78 2keq s GLU 54 Ca 0.22 1.48 -0.09 0.00 0.03 0.00 0.00 54.97 56.62 2keq s GLU 54 Cb -0.02 -4.35 -0.04 0.00 -0.80 0.00 0.00 34.13 28.92 2keq s GLU 54 CO 0.08 -2.31 0.20 0.08 -1.33 0.00 0.00 175.26 171.98 2keq s VAL 55 N 8.57 5.41 -0.01 1.83 1.01 0.19 -4.34 120.40 133.05 2keq s VAL 55 Ca 0.87 0.34 0.06 0.00 0.00 0.00 0.00 61.98 63.26 2keq s VAL 55 Cb -0.23 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2keq s VAL 55 CO 0.31 0.60 -0.20 -0.36 0.00 0.00 0.00 175.10 175.45 2keq s PHE 56 N -0.96 1.81 0.11 5.22 0.40 -0.76 -1.62 117.98 122.18 2keq s PHE 56 Ca 0.17 -0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 2keq s PHE 56 Cb -0.13 -1.15 -0.06 0.00 0.51 0.00 0.00 43.02 42.19 2keq s PHE 56 CO 0.06 -0.01 0.92 -2.00 0.70 0.00 0.00 175.22 174.89 2keq s GLU 57 N -0.57 4.67 -0.36 0.44 2.12 0.08 -2.42 118.70 122.66 2keq s GLU 57 Ca 0.08 1.39 0.03 0.00 0.36 0.00 0.00 54.97 56.83 2keq s GLU 57 Cb -0.08 -3.37 0.10 0.00 0.26 0.00 0.00 34.13 31.05 2keq s GLU 57 CO -0.00 0.25 0.09 0.71 -0.54 0.00 0.00 175.26 175.77 2keq s TYR 58 N -0.12 3.34 0.11 5.30 2.02 0.04 -1.36 117.35 126.69 2keq s TYR 58 Ca 0.45 -2.82 -0.30 0.00 -0.37 0.00 0.00 57.07 54.02 2keq s TYR 58 Cb -0.23 -2.71 -0.06 0.00 -0.40 0.00 0.00 41.96 38.56 2keq s TYR 58 CO 0.29 -0.91 1.11 0.00 -1.57 0.00 0.00 175.55 174.47 2keq s LEU 60 N 0.33 3.78 0.55 0.00 1.02 -0.45 -0.61 118.68 123.30 2keq s LEU 60 Ca 0.53 0.39 0.32 0.00 0.02 0.00 0.00 54.13 55.39 2keq s LEU 60 Cb -0.28 -3.27 1.59 0.00 0.02 0.00 0.00 46.19 44.26 2keq s LEU 60 CO 0.32 -0.54 2.09 -0.33 0.02 0.00 0.00 176.35 177.91 2keq h GLU 61 N 0.52 0.00 0.00 1.70 5.08 -1.90 -1.39 114.58 118.59 2keq h GLU 61 Ca -0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2keq h GLU 61 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2keq h GLU 61 CO 0.59 0.07 -0.11 0.22 -1.00 0.00 0.00 179.01 178.78 2keq h ASP 62 N 0.00 0.00 0.00 1.42 3.58 -1.95 -3.48 116.42 115.99 2keq h ASP 62 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2keq h ASP 62 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2keq h ASP 62 CO 0.01 0.11 0.00 0.61 -2.88 0.00 0.00 179.24 177.09 2keq n GLY 63 N 0.91 0.85 3.73 -0.78 0.00 -0.52 -5.13 105.19 104.24 2keq n GLY 63 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2keq n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2keq s SER 64 N -1.17 2.81 0.03 1.61 1.04 -1.26 -4.79 113.70 111.97 2keq s SER 64 Ca 0.00 0.96 0.04 0.00 0.48 0.00 0.00 55.95 57.42 2keq s SER 64 Cb 0.00 -1.50 -0.02 0.00 0.10 0.00 0.00 66.02 64.60 2keq s SER 64 CO 0.00 -2.99 -0.11 -0.76 0.98 0.00 0.00 173.24 170.36 2keq s LEU 65 N -6.30 2.16 -0.00 2.42 1.43 -1.26 -1.34 118.68 115.78 2keq s LEU 65 Ca 0.66 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2keq s LEU 65 Cb -0.15 -0.44 -0.00 0.00 0.03 0.00 0.00 46.19 45.63 2keq s LEU 65 CO 0.55 -0.02 -0.03 -0.63 0.23 0.00 0.00 176.35 176.46 2keq s ILE 66 N -0.83 0.24 -0.33 -0.59 1.01 -1.00 -5.00 121.20 114.68 2keq s ILE 66 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 2keq s ILE 66 Cb -0.07 -0.21 0.11 0.00 0.01 0.00 0.00 42.46 42.30 2keq s ILE 66 CO 0.01 0.07 0.12 -0.13 0.00 0.00 0.00 174.94 175.01 2keq s ARG 67 N -0.03 0.83 0.17 2.79 0.52 -1.26 -0.78 118.95 121.20 2keq s ARG 67 Ca 0.01 -1.26 -0.08 0.00 -0.52 0.00 0.00 55.73 53.88 2keq s ARG 67 Cb -0.02 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.36 2keq s ARG 67 CO -0.00 -1.02 0.27 0.00 0.02 0.00 0.00 175.30 174.57 2keq s ALA 68 N 1.38 0.16 0.49 2.13 0.00 -1.02 -2.69 121.76 122.20 2keq s ALA 68 Ca 0.11 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 2keq s ALA 68 Cb -0.19 0.94 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 2keq s ALA 68 CO -0.20 -0.65 0.91 0.95 0.00 0.00 0.00 175.76 176.77 2keq s THR 69 N -4.00 4.66 0.55 0.00 -4.23 -1.10 -1.83 115.64 109.68 2keq s THR 69 Ca 0.20 0.93 0.32 0.00 -1.18 0.00 0.00 61.69 61.97 2keq s THR 69 Cb 0.03 -3.75 0.36 0.00 1.34 0.00 0.00 72.50 70.49 2keq s THR 69 CO 0.02 -0.69 2.23 0.11 -0.54 0.00 0.00 174.62 175.75 2keq h LYS 70 N 0.86 0.00 0.00 3.99 6.56 -1.93 -2.82 116.57 123.23 2keq h LYS 70 Ca -0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 2keq h LYS 70 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2keq h LYS 70 CO 0.62 0.03 -0.38 -0.25 -2.06 0.00 0.00 179.45 177.41 2keq n ASP 71 N -3.62 0.44 -4.72 0.86 8.00 -1.26 -3.62 116.55 112.63 2keq n ASP 71 Ca -0.03 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 2keq n ASP 71 Cb 0.13 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 2keq n ASP 71 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2keq s HIS 72 N -3.04 3.73 0.53 1.24 2.46 -1.06 -4.02 115.29 115.12 2keq s HIS 72 Ca 0.11 1.74 -0.05 0.00 0.47 0.00 0.00 55.06 57.33 2keq s HIS 72 Cb 0.17 -3.09 -0.01 0.00 -0.13 0.00 0.00 32.58 29.51 2keq s HIS 72 CO 0.66 0.09 0.83 0.15 -2.47 0.00 0.00 174.74 173.99 2keq s LYS 73 N 0.56 3.20 0.00 2.88 1.02 -0.76 -2.61 119.74 124.04 2keq s LYS 73 Ca 0.50 0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.53 2keq s LYS 73 Cb -0.22 -2.34 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2keq s LYS 73 CO 0.29 -0.45 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.18 2keq s PHE 74 N -2.84 0.24 -0.41 3.18 0.40 -0.65 -0.85 117.98 117.04 2keq s PHE 74 Ca 0.51 -0.10 -0.28 0.00 -0.60 0.00 0.00 56.93 56.46 2keq s PHE 74 Cb -0.10 -0.15 -0.01 0.00 0.51 0.00 0.00 43.02 43.26 2keq s PHE 74 CO 0.44 -0.02 1.75 1.41 0.70 0.00 0.00 175.22 179.51 2keq s MET 75 N -0.23 3.19 0.98 0.44 -2.45 -0.29 -3.43 119.30 117.51 2keq s MET 75 Ca -0.01 1.15 -0.12 0.00 -1.25 0.00 0.00 55.69 55.46 2keq s MET 75 Cb -0.02 -4.22 0.18 0.00 1.25 0.00 0.00 34.83 32.02 2keq s MET 75 CO -0.00 -2.03 1.08 0.95 1.05 0.00 0.00 175.02 176.07 2keq s THR 76 N 7.21 2.33 0.61 10.11 -4.23 -0.71 -1.15 115.64 129.81 2keq s THR 76 Ca 0.74 0.11 0.31 0.00 -1.18 0.00 0.00 61.69 61.67 2keq s THR 76 Cb -0.19 -2.45 0.37 0.00 1.34 0.00 0.00 72.50 71.57 2keq s THR 76 CO 0.30 -0.14 2.16 -0.37 -0.54 0.00 0.00 174.62 176.03 2keq h VAL 77 N -1.90 0.38 0.00 2.29 -1.51 -1.65 -0.31 116.25 113.54 2keq h VAL 77 Ca -0.53 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2keq h VAL 77 Cb 1.30 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2keq h VAL 77 CO 0.53 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.34 2keq n ASP 78 N -3.64 0.73 0.00 4.19 8.00 -1.26 -4.92 116.55 119.65 2keq n ASP 78 Ca -0.00 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.08 2keq n ASP 78 Cb 0.24 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 2keq n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2keq n GLY 79 N 1.07 0.78 3.90 0.44 0.00 -0.13 -5.09 105.19 106.16 2keq n GLY 79 Ca 0.05 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2keq n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2keq s GLN 80 N -0.60 2.97 -0.65 1.61 -0.21 -1.26 -4.81 119.66 116.71 2keq s GLN 80 Ca 0.00 0.27 0.05 0.00 0.02 0.00 0.00 55.36 55.70 2keq s GLN 80 Cb 0.00 -2.15 0.16 0.00 1.00 0.00 0.00 33.01 32.03 2keq s GLN 80 CO 0.00 -0.82 0.44 0.00 -2.12 0.00 0.00 175.29 172.79 2keq s MET 81 N -5.16 2.28 0.08 2.91 0.23 -1.26 -1.74 119.30 116.64 2keq s MET 81 Ca 0.56 -3.14 0.07 0.00 -1.03 0.00 0.00 55.69 52.14 2keq s MET 81 Cb -0.11 -3.27 -0.04 0.00 -1.53 0.00 0.00 34.83 29.88 2keq s MET 81 CO 0.49 -1.26 -0.11 -0.51 -2.03 0.00 0.00 175.02 171.60 2keq s LEU 82 N -1.16 2.98 0.49 0.18 1.43 -1.22 -4.83 118.68 116.55 2keq s LEU 82 Ca 0.24 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 52.75 2keq s LEU 82 Cb -0.08 -1.77 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 2keq s LEU 82 CO -0.14 0.20 1.25 -2.16 0.23 0.00 0.00 176.35 175.73 2keq s PRO 83 N -1.98 3.55 0.58 1.29 0.04 -1.26 -1.64 135.00 135.58 2keq s PRO 83 Ca 0.20 1.98 0.28 0.00 0.04 0.00 0.00 61.00 63.49 2keq s PRO 83 Cb -0.11 -2.38 1.68 0.00 0.04 0.00 0.00 34.50 33.73 2keq s PRO 83 CO 0.11 -0.78 2.17 0.97 0.04 0.00 0.00 177.00 179.51 2keq h ILE 84 N 1.77 0.56 -0.68 0.56 2.10 -1.56 0.01 117.51 120.27 2keq h ILE 84 Ca -0.50 0.00 0.09 0.00 1.08 0.00 0.00 64.86 65.53 2keq h ILE 84 Cb 1.27 0.92 -0.04 0.00 -1.09 0.00 0.00 36.82 37.87 2keq h ILE 84 CO 0.59 0.00 0.45 -0.78 -1.08 0.00 0.00 178.15 177.33 2keq h ASP 85 N 0.00 0.52 0.32 2.19 3.58 -1.88 -2.14 116.42 119.00 2keq h ASP 85 Ca 0.04 0.01 -0.33 0.00 0.42 0.00 0.00 57.03 57.17 2keq h ASP 85 Cb 0.24 -0.10 0.03 0.00 1.72 0.00 0.00 39.33 41.22 2keq h ASP 85 CO -0.00 0.32 -1.49 -0.08 -2.88 0.00 0.00 179.24 175.11 2keq h GLU 86 N 0.58 0.47 -0.69 0.28 4.57 -1.33 -3.33 114.58 115.13 2keq h GLU 86 Ca 0.31 -0.81 -0.07 0.00 -1.18 0.00 0.00 59.36 57.61 2keq h GLU 86 Cb 0.45 0.30 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 2keq h GLU 86 CO -0.10 1.38 0.16 0.82 -1.18 0.00 0.00 179.01 180.10 2keq h ILE 87 N 0.13 1.26 -0.34 2.32 2.04 -1.20 -1.97 117.51 119.75 2keq h ILE 87 Ca -0.25 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 2keq h ILE 87 Cb 2.13 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 2keq h ILE 87 CO 0.25 0.37 0.01 0.15 0.00 0.00 0.00 178.15 178.93 2keq h PHE 88 N 1.04 0.54 0.01 1.37 3.57 -1.55 -0.59 116.94 121.33 2keq h PHE 88 Ca 0.22 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 2keq h PHE 88 Cb 0.36 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2keq h PHE 88 CO 0.03 0.52 -0.21 0.93 -2.23 0.00 0.00 178.31 177.35 2keq h GLU 89 N 0.51 0.12 0.00 1.11 5.08 -1.54 -3.29 114.58 116.57 2keq h GLU 89 Ca 0.11 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2keq h GLU 89 Cb 0.31 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2keq h GLU 89 CO 0.01 0.95 0.00 0.54 -1.00 0.00 0.00 179.01 179.51 2keq n ARG 90 N -4.52 0.11 -3.12 2.33 3.00 -0.79 -4.93 116.66 108.74 2keq n ARG 90 Ca -0.10 0.23 -0.23 0.00 -0.01 0.00 0.00 57.85 57.74 2keq n ARG 90 Cb 0.51 -1.67 0.03 0.00 0.00 0.00 0.00 32.46 31.33 2keq n ARG 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2keq n GLU 91 N -1.88 -4.81 -2.63 5.56 1.02 -0.25 -4.99 120.64 112.67 2keq n GLU 91 Ca 0.04 0.83 -0.36 0.00 -0.02 0.00 0.00 57.16 57.65 2keq n GLU 91 Cb 0.28 -5.68 -0.05 0.00 -0.02 0.00 0.00 31.44 25.98 2keq n GLU 91 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2keq s LEU 92 N -6.70 4.10 0.66 -4.62 1.43 -1.09 -4.86 118.68 107.61 2keq s LEU 92 Ca 0.34 1.93 -0.09 0.00 -1.03 0.00 0.00 54.13 55.28 2keq s LEU 92 Cb -0.16 -4.27 0.01 0.00 0.03 0.00 0.00 46.19 41.81 2keq s LEU 92 CO 0.42 -0.44 1.02 -1.81 0.23 0.00 0.00 176.35 175.77 2keq s ASP 93 N -1.73 5.49 0.05 2.29 1.01 -1.26 -4.56 116.67 117.95 2keq s ASP 93 Ca 0.59 0.95 0.05 0.00 0.71 0.00 0.00 52.55 54.84 2keq s ASP 93 Cb -0.19 -1.82 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 2keq s ASP 93 CO 0.24 -1.24 -0.06 -0.76 0.21 0.00 0.00 175.17 173.55 2keq s LEU 94 N -5.21 3.19 0.32 1.23 1.43 -1.25 -2.08 118.68 116.31 2keq s LEU 94 Ca 0.56 -0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 53.16 2keq s LEU 94 Cb -0.11 -1.90 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 2keq s LEU 94 CO 0.49 0.23 1.08 -0.32 0.23 0.00 0.00 176.35 178.05 2keq s MET 95 N -1.84 4.49 0.39 1.70 -2.45 -0.30 -4.54 119.30 116.75 2keq s MET 95 Ca 0.20 1.70 0.04 0.00 -1.25 0.00 0.00 55.69 56.38 2keq s MET 95 Cb -0.11 -2.98 -0.05 0.00 1.25 0.00 0.00 34.83 32.93 2keq s MET 95 CO 0.12 0.11 0.06 1.03 1.05 0.00 0.00 175.02 177.38 2keq s ARG 96 N -1.77 1.85 0.00 4.11 3.00 -1.26 -1.37 118.95 123.50 2keq s ARG 96 Ca 0.49 -2.08 0.00 0.00 0.00 0.00 0.00 55.73 54.13 2keq s ARG 96 Cb -0.29 -1.02 0.00 0.00 0.00 0.00 0.00 34.95 33.64 2keq s ARG 96 CO 0.36 -0.26 0.00 1.55 0.00 0.00 0.00 175.30 176.95 2keq n VAL 97 N -0.87 0.00 1.70 3.52 3.14 -0.72 -4.72 118.33 120.37 2keq n VAL 97 Ca -0.06 -0.02 0.10 0.00 -2.96 0.00 0.00 64.34 61.40 2keq n VAL 97 Cb 0.66 0.50 0.48 0.00 -1.06 0.00 0.00 33.84 34.43 2keq n VAL 97 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2keq n ASP 98 N -1.44 0.65 -2.66 6.55 9.92 -1.26 -4.89 116.55 123.41 2keq n ASP 98 Ca 0.00 -1.53 -0.20 0.00 -0.53 0.00 0.00 54.79 52.53 2keq n ASP 98 Cb 0.00 -0.04 0.01 0.00 -0.64 0.00 0.00 41.12 40.44 2keq n ASP 98 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2keq n ASN 99 N -0.35 -5.50 -4.78 -2.24 3.02 -1.26 -5.01 115.26 99.13 2keq n ASN 99 Ca 0.15 -0.09 -0.31 0.00 -0.03 0.00 0.00 54.58 54.29 2keq n ASN 99 Cb 0.17 -4.55 0.07 0.00 -0.61 0.00 0.00 39.78 34.86 2keq n ASN 99 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2keq s LEU 100 N -6.20 3.14 0.58 3.41 1.43 -1.26 -5.04 118.68 114.73 2keq s LEU 100 Ca 0.12 1.82 -0.19 0.00 -1.03 0.00 0.00 54.13 54.85 2keq s LEU 100 Cb -0.06 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.60 2keq s LEU 100 CO 0.15 -1.81 1.19 -2.16 0.23 0.00 0.00 176.35 173.95 2keq s PRO 101 N -4.73 3.08 -0.03 1.29 0.04 -1.26 -4.96 135.00 128.43 2keq s PRO 101 Ca 0.62 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 2keq s PRO 101 Cb -0.17 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2keq s PRO 101 CO 0.52 -1.11 1.44 -0.80 0.04 0.00 0.00 177.00 177.09 2keq s ASN 102 N -1.61 6.82 -0.02 6.66 -0.87 -1.26 -5.01 114.94 119.65 2keq s ASN 102 Ca 0.76 2.09 -0.01 0.00 -1.57 0.00 0.00 52.86 54.13 2keq s ASN 102 Cb -0.29 -2.55 0.01 0.00 -0.02 0.00 0.00 41.25 38.40 2keq s ASN 102 CO 0.32 -0.77 0.05 0.27 -2.57 0.00 0.00 177.10 174.40 2keq s ILE 103 N 2.84 -0.01 0.52 0.60 -4.36 -1.26 -5.02 121.20 114.51 2keq s ILE 103 Ca 0.65 0.04 0.08 0.00 -0.26 0.00 0.00 60.65 61.15 2keq s ILE 103 Cb -0.31 -0.08 0.04 0.00 1.25 0.00 0.00 42.46 43.36 2keq s ILE 103 CO 0.26 0.02 0.54 -1.59 0.24 0.00 0.00 174.94 174.41 2keq s LYS 104 N 0.25 2.36 -0.51 0.37 0.00 -1.26 -3.90 119.74 117.05 2keq s LYS 104 Ca -0.02 -1.75 -0.27 0.00 0.00 0.00 0.00 55.97 53.93 2keq s LYS 104 Cb -0.03 -2.38 -0.02 0.00 0.00 0.00 0.00 37.83 35.40 2keq s LYS 104 CO -0.01 -0.60 1.81 0.42 0.00 0.00 0.00 175.35 176.97 2keq s ILE 105 N -2.65 3.44 0.12 3.79 1.01 -1.26 -3.47 121.20 122.17 2keq s ILE 105 Ca 0.48 0.34 -0.14 0.00 0.00 0.00 0.00 60.65 61.33 2keq s ILE 105 Cb -0.04 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2keq s ILE 105 CO 0.29 -0.75 1.51 0.00 0.00 0.00 0.00 174.94 175.99 2keq h ALA 106 N 14.01 0.52 -2.75 9.38 0.00 -1.15 -3.47 119.26 135.79 2keq h ALA 106 Ca -0.28 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 2keq h ALA 106 Cb 1.16 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 2keq h ALA 106 CO 1.15 0.42 -0.11 0.95 0.00 0.00 0.00 179.25 181.66 2keq s THR 107 N -4.70 0.06 0.04 0.00 -4.23 -1.16 -5.04 115.64 100.61 2keq s THR 107 Ca -0.12 -0.89 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 2keq s THR 107 Cb 0.10 -1.49 -0.02 0.00 1.34 0.00 0.00 72.50 72.43 2keq s THR 107 CO 0.82 -0.26 -0.17 -0.60 -0.54 0.00 0.00 174.62 173.86 2keq s ARG 108 N -3.87 1.16 -0.15 3.99 3.52 -1.26 -1.89 118.95 120.45 2keq s ARG 108 Ca 0.09 -0.82 -0.04 0.00 -0.13 0.00 0.00 55.73 54.83 2keq s ARG 108 Cb 0.01 -1.22 0.07 0.00 -1.56 0.00 0.00 34.95 32.26 2keq s ARG 108 CO -0.06 0.31 0.23 0.21 -0.81 0.00 0.00 175.30 175.19 2keq s LYS 109 N -1.08 0.15 0.13 5.12 2.20 -0.46 -5.00 119.74 120.79 2keq s LYS 109 Ca 0.05 0.54 -0.31 0.00 -0.36 0.00 0.00 55.97 55.88 2keq s LYS 109 Cb -0.08 -0.46 -0.10 0.00 -1.51 0.00 0.00 37.83 35.68 2keq s LYS 109 CO 0.01 -0.42 1.67 -0.47 -0.36 0.00 0.00 175.35 175.78 2keq s TYR 110 N 2.37 2.65 -0.20 4.03 5.04 -1.26 -0.75 117.35 129.23 2keq s TYR 110 Ca 0.04 0.36 -0.07 0.00 -2.44 0.00 0.00 57.07 54.96 2keq s TYR 110 Cb -0.13 -4.02 -0.20 0.00 0.35 0.00 0.00 41.96 37.96 2keq s TYR 110 CO -0.09 -3.97 0.05 1.28 -1.34 0.00 0.00 175.55 171.47 2keq n LEU 111 N 4.84 2.53 0.00 6.97 4.77 -0.64 -4.89 117.00 130.59 2keq n LEU 111 Ca 0.16 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2keq n LEU 111 Cb 0.39 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 2keq n LEU 111 CO 0.63 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 2keq n GLY 112 N 1.89 0.64 2.47 -0.72 0.00 -1.16 -5.02 105.19 103.29 2keq n GLY 112 Ca -0.40 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 2keq n GLY 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2keq n LYS 113 N 0.00 2.38 -3.11 1.61 4.81 -1.26 -0.64 118.16 121.95 2keq n LYS 113 Ca 0.00 -4.60 -0.27 0.00 -0.87 0.00 0.00 58.31 52.57 2keq n LYS 113 Cb 0.00 -2.22 -0.02 0.00 0.02 0.00 0.00 35.03 32.81 2keq n LYS 113 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2keq s GLN 114 N -2.31 3.59 -0.06 1.64 -0.21 -1.17 -4.63 119.66 116.52 2keq s GLN 114 Ca 0.38 0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.49 2keq s GLN 114 Cb 0.13 -2.55 -0.06 0.00 1.00 0.00 0.00 33.01 31.53 2keq s GLN 114 CO -0.03 0.06 1.76 1.21 -2.12 0.00 0.00 175.29 176.17 2keq s ASN 115 N -3.62 6.52 0.11 5.90 3.04 -1.25 -3.13 114.94 122.51 2keq s ASN 115 Ca 0.45 2.26 0.09 0.00 0.04 0.00 0.00 52.86 55.69 2keq s ASN 115 Cb -0.10 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.04 2keq s ASN 115 CO 0.35 -1.05 -0.22 0.68 -3.04 0.00 0.00 177.10 173.82 2keq s VAL 116 N 4.50 1.82 0.07 -5.21 -7.23 -1.26 -3.85 120.40 109.25 2keq s VAL 116 Ca 0.78 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 2keq s VAL 116 Cb -0.35 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 2keq s VAL 116 CO 0.33 -0.04 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.71 2keq s TYR 117 N -1.19 0.73 -0.28 2.82 1.51 -0.01 -2.27 117.35 118.67 2keq s TYR 117 Ca 0.08 -0.87 -0.09 0.00 -1.01 0.00 0.00 57.07 55.19 2keq s TYR 117 Cb -0.10 -0.45 0.13 0.00 -0.11 0.00 0.00 41.96 41.43 2keq s TYR 117 CO 0.05 -0.20 0.59 0.34 -1.11 0.00 0.00 175.55 175.22 2keq s ASP 118 N -2.71 -0.94 0.47 2.29 2.15 -0.28 -1.21 116.67 116.44 2keq s ASP 118 Ca 0.06 1.37 -0.22 0.00 0.43 0.00 0.00 52.55 54.20 2keq s ASP 118 Cb 0.03 2.07 -0.08 0.00 -0.30 0.00 0.00 42.92 44.64 2keq s ASP 118 CO -0.05 -0.23 1.09 0.27 -0.17 0.00 0.00 175.17 176.08 2keq s ILE 119 N 2.83 3.48 0.10 4.11 -4.36 -1.26 -1.05 121.20 125.04 2keq s ILE 119 Ca -0.03 1.01 0.00 0.00 -0.26 0.00 0.00 60.65 61.38 2keq s ILE 119 Cb -0.12 -3.46 -0.04 0.00 1.25 0.00 0.00 42.46 40.08 2keq s ILE 119 CO -0.18 -0.11 0.25 -0.83 0.24 0.00 0.00 174.94 174.31 2keq s GLY 120 N -1.69 2.05 -0.04 6.27 0.00 0.36 -4.85 107.32 109.42 2keq s GLY 120 Ca 0.65 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 44.40 2keq s GLY 120 CO 0.27 -0.84 0.25 0.14 0.00 0.00 0.00 173.10 172.91 2keq s VAL 121 N -1.60 0.04 -0.21 1.40 1.01 -1.26 -0.93 120.40 118.85 2keq s VAL 121 Ca 0.36 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 2keq s VAL 121 Cb -0.12 -0.48 -0.12 0.00 0.00 0.00 0.00 36.38 35.66 2keq s VAL 121 CO 0.28 -0.20 -0.22 1.21 0.00 0.00 0.00 175.10 176.17 2keq n GLU 122 N 1.94 0.50 -0.06 2.72 4.07 -1.26 -4.72 120.64 123.83 2keq n GLU 122 Ca -0.19 0.15 -0.14 0.00 -0.06 0.00 0.00 57.16 56.93 2keq n GLU 122 Cb 0.57 -1.37 -0.07 0.00 -0.06 0.00 0.00 31.44 30.51 2keq n GLU 122 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2keq h ARG 123 N -0.30 0.44 0.00 5.31 2.43 -1.99 -3.48 114.38 116.80 2keq h ARG 123 Ca -0.50 -0.26 -0.14 0.00 -0.81 0.00 0.00 59.98 58.27 2keq h ARG 123 Cb 1.64 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.18 2keq h ARG 123 CO -0.17 0.84 -0.12 -0.25 -1.51 0.00 0.00 179.97 178.76 2keq n ASP 124 N -4.45 0.51 -2.70 -3.80 8.00 -1.26 -5.12 116.55 107.73 2keq n ASP 124 Ca -0.06 -1.58 -0.00 0.00 0.71 0.00 0.00 54.79 53.86 2keq n ASP 124 Cb 0.42 0.34 0.06 0.00 -0.02 0.00 0.00 41.12 41.93 2keq n ASP 124 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2keq n HIS 125 N -0.21 0.59 -3.51 1.24 8.25 -1.26 -4.63 115.22 115.69 2keq n HIS 125 Ca -0.00 -1.94 -0.10 0.00 -0.26 0.00 0.00 57.72 55.42 2keq n HIS 125 Cb 0.16 0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.34 2keq n HIS 125 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2keq s ASN 126 N -3.20 -0.46 0.01 0.41 4.22 -1.26 -0.63 114.94 114.03 2keq s ASN 126 Ca 0.24 -0.10 -0.28 0.00 -2.14 0.00 0.00 52.86 50.57 2keq s ASN 126 Cb 0.34 0.56 0.07 0.00 1.28 0.00 0.00 41.25 43.51 2keq s ASN 126 CO -0.06 -0.94 0.67 0.72 -2.04 0.00 0.00 177.10 175.45 2keq s PHE 127 N -3.61 -0.60 0.26 1.54 -0.12 -0.18 -4.73 117.98 110.52 2keq s PHE 127 Ca 0.04 0.84 -0.29 0.00 -0.05 0.00 0.00 56.93 57.46 2keq s PHE 127 Cb -0.02 0.46 -0.09 0.00 -0.63 0.00 0.00 43.02 42.74 2keq s PHE 127 CO -0.09 -0.67 0.95 0.00 -0.05 0.00 0.00 175.22 175.36 2keq s ALA 128 N -2.04 3.32 0.72 1.99 0.00 -0.39 -0.90 121.76 124.46 2keq s ALA 128 Ca -0.06 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2keq s ALA 128 Cb -0.00 -3.21 0.13 0.00 0.00 0.00 0.00 23.12 20.03 2keq s ALA 128 CO 0.02 0.18 0.99 -0.51 0.00 0.00 0.00 175.76 176.44 2keq s LEU 129 N -1.33 2.97 0.13 0.00 1.43 0.25 -3.46 118.68 118.67 2keq s LEU 129 Ca 0.43 -0.45 -0.32 0.00 -1.03 0.00 0.00 54.13 52.75 2keq s LEU 129 Cb -0.25 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.02 2keq s LEU 129 CO 0.31 -1.88 1.55 0.50 0.23 0.00 0.00 176.35 177.07 2keq h LYS 130 N -0.51 -0.42 0.00 1.70 3.64 -1.68 -1.88 116.57 117.42 2keq h LYS 130 Ca -0.35 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 2keq h LYS 130 Cb 1.27 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2keq h LYS 130 CO 0.39 -0.28 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.25 2keq h ASN 131 N -0.43 0.00 0.00 4.20 2.35 -1.97 -3.47 115.58 116.25 2keq h ASN 131 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2keq h ASN 131 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2keq h ASN 131 CO -0.55 0.13 0.00 0.61 -1.65 0.00 0.00 177.43 175.97 2keq n GLY 132 N 0.21 0.98 3.76 2.83 0.00 -0.71 -4.45 105.19 107.81 2keq n GLY 132 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2keq n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2keq s PHE 133 N -1.57 2.74 -0.28 1.61 0.08 -1.26 -1.76 117.98 117.55 2keq s PHE 133 Ca 0.00 0.88 -0.23 0.00 0.12 0.00 0.00 56.93 57.71 2keq s PHE 133 Cb 0.00 -4.03 -0.00 0.00 -0.57 0.00 0.00 43.02 38.41 2keq s PHE 133 CO 0.00 -3.38 0.76 0.42 -0.10 0.00 0.00 175.22 172.92 2keq s ILE 134 N -0.24 4.85 0.19 0.64 1.09 -0.47 -0.58 121.20 126.67 2keq s ILE 134 Ca 0.61 1.23 -0.02 0.00 -1.10 0.00 0.00 60.65 61.38 2keq s ILE 134 Cb -0.47 -4.09 -0.04 0.00 -1.06 0.00 0.00 42.46 36.79 2keq s ILE 134 CO 0.51 -0.15 0.38 0.00 -0.10 0.00 0.00 174.94 175.58 2keq s ALA 135 N 2.83 3.83 0.03 9.38 0.00 -0.07 -1.14 121.76 136.60 2keq s ALA 135 Ca 0.31 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2keq s ALA 135 Cb -0.15 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 2keq s ALA 135 CO 0.11 0.49 -0.06 -1.54 0.00 0.00 0.00 175.76 174.76 2keq s SER 136 N -2.99 0.69 0.00 0.00 1.04 -0.03 -1.01 113.70 111.39 2keq s SER 136 Ca 0.39 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2keq s SER 136 Cb -0.11 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2keq s SER 136 CO 0.28 -0.15 0.40 -0.46 0.98 0.00 0.00 173.24 174.29